3,4,6-Trichloro-5-pyridin-3-yloxybenzene-1,2-dicarbonitrile | 1061715-62-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,4,6-Trichloro-5-pyridin-3-yloxybenzene-1,2-dicarbonitrile
• CAS: 1061715-62-5
• 化学式: C₁₃H₄Cl₃N₃O
• 分子量: 324.553
• InChiKey: HATKDYOFILPONN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4,6-Trichloro-5-pyridin-3-yloxybenzene-1,2-dicarbonitrile 在 ammonium molybdate 、 zinc diacetate 作用下， 反应 6.0h， 生成
  参考文献：
  名称：

  Phthalocyanines and related compounds: XLV. Nucleophilic substitution of chlorine in tetrachlorophthalonitrile: Synthesis of aryloxy-aubstituted phthalonitriles and phthalocyanines derived from them

  摘要：

  Nucleophilic substitution of chlorine in tetrachlorophthalonitrile by the reaction with aryloxy anions is studied. Depending on the reactant ratio, the products of substitution of one, two, and/or three chlorine atoms are formed. Their tetramerization gives aryloxychloro-substituted phthalocyanines having the absorption band in the near-IR range.

  DOI：

  10.1134/s1070363207060308
• 作为产物：
  描述：

  3-羟基吡啶 、 3,4,5,6-四氯苯-1,2-二甲腈 在 sodium methylate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以22%的产率得到3,6-dichloro-4,5-bis(pyridin-3-yloxy)phthalonitrile
  参考文献：
  名称：

  Phthalocyanines and related compounds: XLV. Nucleophilic substitution of chlorine in tetrachlorophthalonitrile: Synthesis of aryloxy-aubstituted phthalonitriles and phthalocyanines derived from them

  摘要：

  Nucleophilic substitution of chlorine in tetrachlorophthalonitrile by the reaction with aryloxy anions is studied. Depending on the reactant ratio, the products of substitution of one, two, and/or three chlorine atoms are formed. Their tetramerization gives aryloxychloro-substituted phthalocyanines having the absorption band in the near-IR range.

  DOI：

  10.1134/s1070363207060308